BDBM50207145 CHEMBL3946995::US9550741, I-1

SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1

InChI Key InChIKey=AAELEHAFAYIZRH-WGSAOQKQSA-N

Data  12 KI  5 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50207145   

TargetVitamin D3 receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.130nMAssay Description:The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.130nMAssay Description:The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.230nMpH: 7.7Assay Description:1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  0.230nMpH: 7.7Assay Description:1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  1.30nMpH: 7.4Assay Description:1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  1.30nMpH: 7.4Assay Description:1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...More data for this Ligand-Target Pair
In DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  2.90nMpH: 7.5Assay Description:1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  2.90nMpH: 7.5Assay Description:1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataIC50:  46nMAssay Description:Antagonistic activity at 5-HT1A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at 5-HT1A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by Fluo-4 dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataIC50:  1.40nMAssay Description:Antagonistic activity at D3 receptor (unknown origin) expressed in cell membranes assessed as inhibition of quinpirole-induced response after 40 mins...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at 5-HT2A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by Fluo-4 dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataIC50:  2.11E+3nMAssay Description:Inhibition of recombinant human ERG expressed in CHOK1 cells at -80 mV holding potential after 2 mins by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataIC50:  32nMAssay Description:Antagonistic activity at 5-HT2A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by fluo-4 dye based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at D3 receptor (unknown origin) expressed in cell membranes after 40 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Shanghai Institute Of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207145(CHEMBL3946995 | US9550741, I-1)
Affinity DataIC50:  61nMAssay Description:Antagonistic activity at D2 receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of dopamine-induced ca...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed